SCHEMBL3814033

SCHEMBL3814033

[CH2]C(C)(C)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
MAOB P27338 8/20 0.47
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALOX5AP P20292 1/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAOA P21397 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4063734 0.85 ALOX5 (0.50) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL30779646 0.85 ALOX5 (0.50) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL13412635 0.77 ALOX5 (0.63) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL4640614 0.76 RXRA (0.53) MAOBALOX5APMAPTSMN1; SMN2MRGPRX4
SCHEMBL12475641 0.76 CYP3A4 (0.44) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL4053551 0.76 MAOB (0.59) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL19286354 0.76 ALOX5 (0.58) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL96800 0.76 ALOX5 (0.58) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL27664101 0.75 IMPDH2 (0.58) ALOX5MAPTMAOASMN1; SMN2
SCHEMBL6987612 0.75 MAOB (0.58) ALOX5MAOBLMNACYP1A2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP claimed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed